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15731-93-8 | 5(4H)-Isoxazolone, 3,4-dimethyl-
CAS No: 15731-93-8 Catalog No: AG001PDZ MDL No:MFCD00971937
Product Description
Catalog Number:
AG001PDZ
Chemical Name:
5(4H)-Isoxazolone, 3,4-dimethyl-
CAS Number:
15731-93-8
Molecular Formula:
C5H7NO2
Molecular Weight:
113.1146
MDL Number:
MFCD00971937
IUPAC Name:
3,4-dimethyl-4H-1,2-oxazol-5-one
InChI:
InChI=1S/C5H7NO2/c1-3-4(2)6-8-5(3)7/h3H,1-2H3
InChI Key:
UYYXCVRLRKSYAA-UHFFFAOYSA-N
SMILES:
O=C1ON=C(C1C)C
Properties
Complexity:
151
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
113.048g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
113.116g/mol
Monoisotopic Mass:
113.048g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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